1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]urea

C18H23F2N5O3 — CID 126777375

IUPAC1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]urea
SMILESCC(NC(=O)NCc1cccnc1OCC(F)F)c1nc(C2CCCC2)no1
InChIInChI=1S/C18H23F2N5O3/c1-11(16-24-15(25-28-16)12-5-2-3-6-12)23-18(26)22-9-13-7-4-8-21-17(13)27-10-14(19)20/h4,7-8,11-12,14H,2-3,5-6,9-10H2,1H3,(H2,22,23,26)
InChIKeyOXNBQVTVBQOWQA-UHFFFAOYSA-N
MW395.41 g/mol
LogP3.33
Rot. Bonds8

About 1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]urea

1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]urea (PubChem CID 126777375) has the molecular formula C18H23F2N5O3 and a molecular weight of 395.41 g/mol. Its IUPAC name is 1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]urea
PubChem CID126777375
Molecular FormulaC18H23F2N5O3
Molecular Weight395.41 g/mol
Exact Mass395.18
IUPAC Name1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]urea
SMILESCC(NC(=O)NCc1cccnc1OCC(F)F)c1nc(C2CCCC2)no1
InChIInChI=1S/C18H23F2N5O3/c1-11(16-24-15(25-28-16)12-5-2-3-6-12)23-18(26)22-9-13-7-4-8-21-17(13)27-10-14(19)20/h4,7-8,11-12,14H,2-3,5-6,9-10H2,1H3,(H2,22,23,26)
InChIKeyOXNBQVTVBQOWQA-UHFFFAOYSA-N
XLogP3.33
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(dimethylamino)-3-pyridinyl]methyl]urea
CID 126774567
1-[(1R)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 96520156
1-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-3-[(3S)-4-methylpent-1-yn-3-yl]urea
CID 100690740
3-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 122004494
1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea
CID 75505728
1-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea
CID 97089574
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111540799
N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-2-(methylamino)acetamide
CID 120705557
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 119817384
1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(quinolin-8-ylmethyl)urea
CID 95619095
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119817375
3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119817373

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]urea?
The IUPAC name of 1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]urea (CID 126777375) is 1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]urea is CC(NC(=O)NCc1cccnc1OCC(F)F)c1nc(C2CCCC2)no1.
What is the InChIKey of 1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]urea?
The InChIKey is OXNBQVTVBQOWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N5O3/c1-11(16-24-15(25-28-16)12-5-2-3-6-12)23-18(26)22-9-13-7-4-8-21-17(13)27-10-14(19)20/h4,7-8,11-12,14H,2-3,5-6,9-10H2,1H3,(H2,22,23,26).
What are the key properties of 1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]urea?
1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]urea has a molecular weight of 395.41 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 126777375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).